Information card for entry 2234353

Structure parameters

• Common name: 3,6-diiodo-9H-carbazole
• Chemical name: 3,6-Diiodo-9<i>H</i>-carbazole
• Formula: C12 H7 I2 N
• Calculated formula: C12 H7 I2 N
• SMILES: c1cc(I)cc2c3cc(I)ccc3[nH]c12
• Title of publication: 3,6-Diiodo-9<i>H</i>-carbazole
• Authors of publication: Xie, Yu-Zhong; Jin, Jing-Yi; Jin, Guang-De
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1242
• a: 11.8823 ± 0.0014 Å
• b: 7.8835 ± 0.0009 Å
• c: 24.835 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2326.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes